CID 3017320

1,3-dimethylcyclopentene

Structural Information

Molecular Formula
C7H12
SMILES
CC1CCC(=C1)C
InChI
InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h5-6H,3-4H2,1-2H3
InChIKey
QIIAONVJAUZQQR-UHFFFAOYSA-N
Compound name
1,3-dimethylcyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

295
Patents

96.0939 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 118.2
[M+Na]+ 119.083118 126.4
[M-H]- 95.086624 122.1
[M+NH4]+ 114.127723 143.8
[M+K]+ 135.057058 125.6
[M+H-H2O]+ 79.091160 113.9
[M+HCOO]- 141.092101 142.7
[M+CH3COO]- 155.107751 167.1
[M+Na-2H]- 117.068566 123.7
[M]+ 96.09335142 117.0
[M]- 96.09444858 117.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe